N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide

C13H21F3N2O — CID 134435830

IUPACN-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCN1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C13H21F3N2O/c1-11(6-8-18(2)9-7-11)17-10(19)12(4-3-5-12)13(14,15)16/h3-9H2,1-2H3,(H,17,19)
InChIKeyDBDWBOXEORSYJJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.32
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 134435830) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID134435830
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCN1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C13H21F3N2O/c1-11(6-8-18(2)9-7-11)17-10(19)12(4-3-5-12)13(14,15)16/h3-9H2,1-2H3,(H,17,19)
InChIKeyDBDWBOXEORSYJJ-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 134435830) is N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is CN1CCC(C)(NC(=O)C2(C(F)(F)F)CCC2)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is DBDWBOXEORSYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-11(6-8-18(2)9-7-11)17-10(19)12(4-3-5-12)13(14,15)16/h3-9H2,1-2H3,(H,17,19).
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134435830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).